4-[(4Z)-3-carboxyoxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4Z)-3-carboxyoxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4Z)-3-carboxyoxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4Z)-3-carboxyoxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4Z)-3-carboxyoxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4Z)-3-carboxyoxy-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]-5-keto-2-pyrazolin-1-yl]besylic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)OC(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)OC(=O)O

InChI

InChI=1S/C21H19N3O7S/c1-23(2)15-8-6-14(7-9-15)4-3-5-18-19(31-21(26)27)22-24(20(18)25)16-10-12-17(13-11-16)32(28,29)30/h3-13H,1-2H3,(H,26,27)(H,28,29,30)/b4-3+,18-5-